4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

C20H14ClFN6O — CID 11855958

IUPAC4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C20H14ClFN6O/c1-23-20(29)14-10-24-8-6-16(14)26-18-12-3-2-7-25-17(12)27-19(28-18)13-9-11(21)4-5-15(13)22/h2-10H,1H3,(H,23,29)(H,24,25,26,27,28)
InChIKeyWKKSKFLPEORPIP-UHFFFAOYSA-N
MW408.82 g/mol
LogP3.98
Rot. Bonds4

About 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 11855958) has the molecular formula C20H14ClFN6O and a molecular weight of 408.82 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
PubChem CID11855958
Molecular FormulaC20H14ClFN6O
Molecular Weight408.82 g/mol
Exact Mass408.09
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C20H14ClFN6O/c1-23-20(29)14-10-24-8-6-16(14)26-18-12-3-2-7-25-17(12)27-19(28-18)13-9-11(21)4-5-15(13)22/h2-10H,1H3,(H,23,29)(H,24,25,26,27,28)
InChIKeyWKKSKFLPEORPIP-UHFFFAOYSA-N
XLogP3.98
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (CID 11855958) is 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is WKKSKFLPEORPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN6O/c1-23-20(29)14-10-24-8-6-16(14)26-18-12-3-2-7-25-17(12)27-19(28-18)13-9-11(21)4-5-15(13)22/h2-10H,1H3,(H,23,29)(H,24,25,26,27,28).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 408.82 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 11855958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).